0 B7R1.3 BrC1=CN=NC=C1 85151 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 BrC1=CN=NN=C1 74040 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 BrC1=NC=NC=C1 54642 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 BrC1=NC=NC=C1 54644 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 CC1=NC=CN=N1 C74235 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.3 ClC1=CN=CC=C1 P19758 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 ClC1=NN=CC=C1 57588 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 NC1=CC=CC=C1 T70935 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 NC1=CC=CC=C1 T71037 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.3 O=C1C=CNN=C1 D87946 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,0,0,0|1,0,3]=4 13 B7R1.3 SC1=NC=CN=C1 F16108 [0,0,0,0,0,0|2,1,0]=3 14 B7R1.3 [O-][N+]1=CC=NC=C1 O12055 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.1 C1=CC=CC=C1 78158 [1,0,0,0,0,0|0,0,0]=1 16 B6R1.1 C1=CC=NC=C1 T72767 [1,0,0,0,0,0|1,0,0]=2 17 B6R1.1 C1=CN=NC=C1 C75894 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 BrCC1=CN=CN=C1 O11299 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.2 BrCC1=NC=CN=C1 31757 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.2 BrCC1=NN=CC=C1 27114 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.2 C#CC1=CN=CN=C1 25642 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 CCC1=NC=NC=C1 F17281 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.2 CNC1=CN=CN=C1 Y10181 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 CNC1=CN=NC=C1 A10648 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.2 CNC1=NC=NC=C1 W10133 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.2 COC1=NC=NC=C1 T72699 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.2 ClCC1=NC=CN=C1 37060 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.2 ClCC1=NN=CC=C1 37063 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.2 N#CC1=CN=NC=C1 37055 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.2 N#CC1=NN=CC=C1 82702 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.2 NCC1=CC=CN=N1 36976 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.2 NCC1=CC=CN=N1 P15536 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.2 NCC1=CC=NC=C1 35876 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.2 NCC1=CN=CN=C1 26963 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.2 NCC1=CN=NC=C1 27223 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.2 NCC1=CN=NC=C1 36975 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.2 NCC1=NC=CN=C1 67569 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.2 NNC1=CC=CN=C1 S12141 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 NNC1=CN=CN=C1 AT18412 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.2 NNC1=NC=NC=C1 N12626 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.2 O=CC1=NC=NC=C1 26359 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.2 OCC1=CN=NC=C1 37054 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 SCC1=CC=NC=C1 F18336 [0,1,0,0,0,0|1,1,0]=3 49 B8R1.2 SCC1=CN=CC=C1 F18343 [0,1,0,0,0,0|1,1,0]=3 50 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,1,0,0,0,0|1,1,0]=3 51 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.3 BrC1=NC=C(I)C=N1 55463 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.3 CC1=CC=C(C)N=N1 S11370 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.3 CC1=CN=C(Br)C=N1 88781 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.3 CC1=CN=C(F)N=C1 F11686 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.3 CC1=CN=C(I)C=N1 W17940 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.3 CC1=CN=C(N)C=N1 52044 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.3 CC1=CN=C(N)N=C1 51196 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.3 CC1=CN=C(O)C=N1 84954 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.3 CC1=NC=C(F)C=N1 O11437 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.3 CC1=NC=C(O)C=N1 25911 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.3 FC1=NC=C(I)C=N1 O10782 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.3 FC1=NN=C(Br)C=C1 C72413 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.3 IC1=CN=C(I)C=N1 I11480 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.3 NC1=CC=C(O)C=C1 C75965 [0,1,0,0,0,0|0,0,0]=1 68 B8R1.3 NC1=CN=C(Br)N=C1 26764 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.3 NC1=CN=C(I)N=C1 P19402 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.3 NC1=CN=C(N)C=N1 C14950 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.3 NC1=CN=C(N)C=N1 F20076 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.3 NC1=NC=C(O)C=N1 24754 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.3 NC1=NN=C(F)C=C1 C71319 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.3 NC1=NNC(=O)C=C1 A11691 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [0,1,0,0,0,0|1,0,2]=4 77 B8R1.3 OC1=NC=C(F)C=N1 61070 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.3 SC1=CC=C(I)C=C1 F20637 [0,1,0,0,0,0|0,1,0]=2 79 B8R1.3 [O-][N+]1=CC=C(F)C=C1 38173 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.4 BrC1=CC(Br)=NN=C1 26403 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.4 BrC1=NC=CC(I)=N1 81854 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,1,0,0,0,0|1,1,0]=3 83 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,1,0,0,0,0|2,1,0]=4 84 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.4 ClC1=CC(Br)=CN=N1 P15413 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.4 ClC1=NC=CC(I)=N1 F50757 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.4 IC1=CC(I)=NC=N1 N10410 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.4 IC1=CN=CC(I)=C1 83196 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.4 NC1=CC(Cl)=NN=C1 26681 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.4 NC1=CC(I)=NC=N1 27194 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.4 NC1=CC(N)=NC=C1 25421 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.4 NC1=CC(O)=CN=C1 24928 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.4 NC1=CC(O)=CN=C1 26279 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.4 NC1=CC=CC(I)=N1 76368 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.4 NC1=CC=NC(F)=N1 90479 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.4 NC1=CN=CC(N)=C1 26714 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.4 NC1=CN=CC(N)=N1 30602 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.4 O=C1N=C(Br)C=CN1 D96558 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.4 OC1=CC(F)=NC=C1 26765 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.4 OC1=NC(S)=NN=C1 C75942 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.4 OC1=NC=CC(F)=C1 22624 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [0,1,0,0,0,0|1,1,0]=3 113 B8R1.5 BrC1=C(I)C=NC=C1 C76998 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.5 CC1=C(F)C=CN=C1 F19730 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.5 CC1=C(I)C=CC=N1 F19761 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.5 CC1=C(I)C=NC=C1 C74973 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.5 CC1=C(I)C=NC=N1 27820 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.5 CC1=CC=NN=C1Br N13316 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.5 CC1=CC=NN=C1Cl 38744 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.5 CC1=CN=CN=C1Br 27819 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.5 CC1=CN=CN=C1O 25833 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.5 CC1=NC=CN=C1Br 26975 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.5 CC1=NC=NC=C1N 25415 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.5 ClC1=CC=CN=C1I 68801 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.5 ClC1=CC=NN=C1Cl 27407 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.5 ClC1=CN=CN=C1Cl 25142 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.5 ClC1=NC=CN=C1Br C71707 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.5 ClC1=NC=CN=C1I AC1564 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.5 FC1=CN=CN=C1Br 77431 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.5 FC1=NC=CN=C1Br W17938 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.5 NC1=C(Br)C=NN=C1 FD10591 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.5 NC1=C(Cl)C=NC=N1 26794 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.5 NC1=C(Cl)C=NN=C1 P11076 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.5 NC1=C(O)C=CN=N1 D83804 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.5 NC1=C(S)C=CN=C1 AT18151 [0,1,0,0,0,0|1,1,0]=3 137 B8R1.5 NC1=CC=CN=C1I RB1070 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.5 NC1=CC=NN=C1Cl 27714 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.5 NC1=CN=CN=C1I C10176 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.5 NC1=CN=CN=C1N 65496 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.5 NC1=CN=NC=C1N F10831 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.5 NC1=NC=CN=C1Br 27472 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.5 NC1=NC=CN=C1I 27241 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.5 NC1=[N+]([O-])C=CC=C1 T70263 [0,1,0,0,0,0|1,0,1]=3 145 B8R1.5 O=C1NC=CNC1=O W18441 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.5 O=C1NC=NC=C1O 25860 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.5 O=C1NC=NC=C1O C73082 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.5 OC1=C(Cl)C=NN=C1 F10592 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.5 OC1=C(I)C=CN=C1 25190 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.5 OC1=C(I)C=NC=N1 25919 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.5 OC1=C(O)C=NC=C1 C14003 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.5 OC1=NC=CN=C1Br A11981 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.5 OC1=NC=CN=C1O C74124 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.5 SC1=C(Br)C=NC=C1 C12894 [0,1,0,0,0,0|1,1,0]=3 156 B6R0.4 COC=CC(=O)O D97266 [0,0,1,0,0,0|2,0,1]=4 157 B6R0.4 O=C(O)\C=C\CCl 11303 [0,0,1,0,0,0|2,0,1]=4 158 B6R0.4 O=C\C=C\B(O)O A50009 [0,0,1,0,0,0|3,0,0]=4 159 B6R1.2 BrC1=NC=CO1 N12756 [0,0,0,0,1,0|3,0,0]=4 160 B6R1.2 BrC1=NSC=C1 27111 [0,0,0,0,1,0|3,0,0]=4 161 B6R1.2 CC1=CC=CN1 23756 [0,0,0,0,1,0|2,0,0]=3 162 B6R1.2 CC1=CNC=C1 59365 [0,0,0,0,1,0|2,0,0]=3 163 B6R1.2 CC1=CNN=C1 AT22811 [0,0,0,0,1,0|3,0,0]=4 164 B6R1.2 CC1=COC=C1 W18310 [0,0,0,0,1,0|2,0,0]=3 165 B6R1.2 CC1=NOC=C1 35767 [0,0,0,0,1,0|3,0,0]=4 166 B6R1.2 ClC1=NC=CN1 71370 [0,0,0,0,1,0|3,0,0]=4 167 B6R1.2 FC1=CC=NN1 P13416 [0,0,0,0,1,0|3,0,0]=4 168 B6R1.2 FC1=CN=CN1 71921 [0,0,0,0,1,0|3,0,0]=4 169 B6R1.2 FC1=CNN=C1 89373 [0,0,0,0,1,0|3,0,0]=4 170 B6R1.2 IC1=NC=CO1 38371 [0,0,0,0,1,0|3,0,0]=4 171 B6R1.2 NC1=CC=NO1 AB9529 [0,0,0,0,1,0|3,0,0]=4 172 B6R1.2 NC1=CC=NS1 S11666 [0,0,0,0,1,0|3,0,0]=4 173 B6R1.2 NC1=CN=CS1 52083 [0,0,0,0,1,0|3,0,0]=4 174 B6R1.2 NC1=CNC=C1 D82737 [0,0,0,0,1,0|2,0,0]=3 175 B6R1.2 NC1=CNC=N1 21115 [0,0,0,0,1,0|3,0,0]=4 176 B6R1.2 NC1=CNC=N1 52247 [0,0,0,0,1,0|3,0,0]=4 177 B6R1.2 NC1=CON=C1 F14139 [0,0,0,0,1,0|3,0,0]=4 178 B6R1.2 NC1=CSC=C1 D77326 [0,0,0,0,1,0|2,0,0]=3 179 B6R1.2 NC1=CSN=C1 83206 [0,0,0,0,1,0|3,0,0]=4 180 B6R1.2 NC1=CSN=C1 85313 [0,0,0,0,1,0|3,0,0]=4 181 B6R1.2 NN1C=CN=C1 C76661 [0,0,0,0,1,0|3,0,0]=4 182 B6R1.2 NN1C=CN=C1 Y10352 [0,0,0,0,1,0|3,0,0]=4 183 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,0,1,0|1,0,2]=4 184 B6R1.2 OC1=CNN=C1 76131 [0,0,0,0,1,0|2,0,0]=3 185 B6R1.2 OC1=NC=CS1 25638 [0,0,0,0,1,0|2,0,0]=3 186 B6R1.2 OC1=NC=NN1 D82632 [0,0,0,0,1,0|3,0,0]=4 187 B6R1.2 OC1=NOC=C1 W15437 [0,0,0,0,1,0|2,0,0]=3 188 B6R1.2 SC1=CC=CS1 23061 [0,0,0,0,1,0|1,1,0]=3 189 B6R1.2 SC1=CSC=C1 79297 [0,0,0,0,1,0|1,1,0]=3 190 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,1,0,0,0|2,0,0]=4 191 B5R0.1 O=C(O)\C=C\I W15430 [1,0,1,0,0,0|2,0,0]=4 192 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,1,1,0,0,0|1,0,0]=3 193 B7R1.1 C=CC1=CC=CS1 C10114 [0,1,0,0,1,0|2,0,0]=4 194 B7R1.1 COC1=CNN=C1 79311 [0,1,0,0,1,0|2,0,0]=4 195 B7R1.1 COC1=NNC=C1 D79536 [0,1,0,0,1,0|2,0,0]=4 196 B7R1.1 ClCC1=CC=CS1 79790 [0,1,0,0,1,0|2,0,0]=4 197 B7R1.1 NCC1=CC=CN1 25931 [0,1,0,0,1,0|2,0,0]=4 198 B7R1.1 NCC1=CNC=C1 F12967 [0,1,0,0,1,0|2,0,0]=4 199 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,1,0,0,1,0|1,0,1]=4 200 B7R1.1 O=CC1=CCC=C1 77835 [0,1,0,0,1,0|0,0,2]=4 201 B7R1.1 OCC1=CC=NO1 33580 [0,1,0,0,1,0|2,0,0]=4 202 B7R1.1 OCC1=CC=NS1 53001 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.1 OCC1=CON=C1 73633 [0,1,0,0,1,0|2,0,0]=4 204 B7R1.1 OCC1=CSN=C1 83209 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.1 OCN1C=CN=C1 F11598 [0,1,0,0,1,0|2,0,0]=4 206 B7R1.2 CC1=CC=C(Br)O1 C71939 [0,1,0,0,1,0|2,0,0]=4 207 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,1,0,0,1,0|2,0,0]=4 208 B7R1.2 CC1=CSC(C)=C1 O10605 [0,1,0,0,1,0|2,0,0]=4 209 B7R1.2 CN1C=C(O)C=N1 W16286 [0,1,0,0,1,0|2,0,0]=4 210 B7R1.2 CN1C=CC(N)=C1 O10425 [0,1,0,0,1,0|2,0,0]=4 211 B7R1.2 O=C1C=C(O)CO1 F21287 [0,1,0,0,1,0|1,0,1]=4 212 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [0,1,0,0,1,0|1,0,1]=4 213 B7R1.2 OC1=CC=C(Br)S1 C72253 [0,1,0,0,1,0|1,0,0]=3 214 B7R1.2 OC1=NC(Br)=CS1 C71316 [0,1,0,0,1,0|2,0,0]=4 215 B7R1.2 OC1=NSC(Cl)=C1 O11410 [0,1,0,0,1,0|2,0,0]=4 216 B7R1.4 BrC1=C(I)SC=C1 C75822 [0,1,0,0,1,0|2,0,0]=4 217 B7R1.4 CC1=C(C)NC=C1 F20873 [0,1,0,0,1,0|2,0,0]=4 218 B7R1.4 CC1=CSC=C1N P10841 [0,1,0,0,1,0|2,0,0]=4 219 B7R1.4 NC1=CSC=C1Br P15392 [0,1,0,0,1,0|2,0,0]=4 220 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,1,0,0,0,1|0,0,1]=3 221 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [0,2,0,0,0,0|1,0,0]=3 223 B9R1.1 C#CC1=CN=C(Br)C=C1 68603 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.1 C#CC1=CN=C(Cl)C=C1 83979 [0,2,0,0,0,0|2,0,0]=4 225 B9R1.1 C#CC1=CN=C(O)C=C1 O11429 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.1 C#CC1=NC=C(Br)C=C1 84355 [0,2,0,0,0,0|2,0,0]=4 227 B9R1.1 C#CC1=NC=C(Cl)C=C1 84384 [0,2,0,0,0,0|2,0,0]=4 228 B9R1.1 C#CC1=NC=C(Cl)C=C1 N13106 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.1 C#CC1=NC=C(N)C=C1 D83980 [0,2,0,0,0,0|2,0,0]=4 230 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.1 CC1=CN=C(CO)N=C1 38636 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,2,0,0,0,0|2,0,0]=4 238 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,2,0,0,0,0|1,0,0]=3 243 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,2,0,0,0,0|0,0,0]=2 247 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.1 COC1=CN=C(F)C=C1 98092 [0,2,0,0,0,0|1,0,0]=3 251 B9R1.1 COC1=CN=C(N)N=C1 11206 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.1 COC1=NC=C(I)C=N1 W11580 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.1 COC1=NC=C(N)C=N1 35336 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.1 COC1=NC=C(N)N=C1 24331 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.1 COC1=NC=C(O)C=N1 C16680 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.1 COC1=NN=C(I)C=C1 C15088 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [0,2,0,0,0,0|1,0,1]=4 258 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,2,0,0,0,0|1,0,0]=3 264 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [0,2,0,0,0,0|0,1,0]=3 265 B9R1.1 N#CC1=CN=C(O)N=C1 AC4723 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.1 N#CC1=NC=C(I)C=C1 78743 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.1 N#CC1=NC=C(O)C=C1 24955 [0,2,0,0,0,0|1,0,0]=3 268 B9R1.1 N#CC1=NC=C(O)C=N1 O11447 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,2,0,0,0,0|1,0,1]=4 270 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,2,0,0,0,0|0,0,0]=2 271 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,2,0,0,0,0|1,0,0]=3 280 B9R1.1 NNC1=CN=C(Cl)C=C1 H10944 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.1 NNC1=CN=C(F)C=C1 73802 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.1 NNC1=NC=C(F)C=C1 W17746 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.1 OC1=CN=C(CF)N=C1 72904 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,2,0,0,0,0|0,0,0]=2 287 B9R1.1 OCC1=CN=C(Cl)N=C1 BL010346 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.1 OCC1=NC=C(Cl)C=N1 P10956 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.1 OCC1=NC=C(F)C=N1 P11889 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.1 OCC1=NN=C(Cl)C=C1 P11311 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.2 C#CC1=CC(=N)NC=C1 W17094 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.2 C#CC1=CC(Br)=CN=C1 50294 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.2 C#CC1=CC(Br)=NC=C1 D82593 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.2 C#CC1=CC(Cl)=CN=C1 C77589 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.2 C#CC1=CC=CC(=O)N1 N11855 [0,2,0,0,0,0|1,0,1]=4 296 B9R1.2 C#CC1=CC=CC(Br)=N1 D82337 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.2 C#CC1=CC=CC(Cl)=N1 AT12436 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.2 C#CC1=CC=CC(F)=N1 C71915 [0,2,0,0,0,0|2,0,0]=4 299 B9R1.2 C#CC1=NC=CC(N)=C1 72871 [0,2,0,0,0,0|2,0,0]=4 300 B9R1.2 C#CC1=NC=CC(N)=C1 C76101 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.2 C=CC1=CC(Br)=NC=C1 60113 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,2,0,0,0,0|1,0,0]=3 304 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.2 CC1=CC(CO)=NC=N1 38642 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.2 COC1=CC(F)=NC=N1 D83389 [0,2,0,0,0,0|2,0,0]=4 336 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.2 COC1=NC(N)=CN=C1 24364 [0,2,0,0,0,0|2,0,0]=4 339 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.2 COC1=NC=NC(C)=C1 H10028 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,2,0,0,0,0|0,1,0]=3 343 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,2,0,0,0,0|0,0,0]=2 344 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,2,0,0,0,0|1,1,0]=4 345 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,2,0,0,0,0|1,1,0]=4 346 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.2 N#CC1=CC(F)=CN=C1 82241 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.2 N#CC1=CC=CC(=O)N1 P11008 [0,2,0,0,0,0|1,0,1]=4 355 B9R1.2 N#CC1=NC=CC(O)=C1 C75263 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,2,0,0,0,0|0,0,1]=3 360 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,2,0,0,0,0|1,0,1]=4 361 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.2 NCC1=CC(F)=NC=C1 73765 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,2,0,0,0,0|1,0,1]=4 368 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [0,2,0,0,0,0|1,0,1]=4 373 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.2 NNC1=CC(O)=NC=C1 W16830 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,2,0,0,0,0|1,0,1]=4 379 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [0,2,0,0,0,0|1,0,1]=4 382 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.2 OCC1=CC(Cl)=NC=N1 59934 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,2,0,0,0,0|1,0,1]=4 407 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,2,0,0,0,0|1,0,1]=4 409 B9R1.6 OB(O)C1=NC=NC=C1 29744 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.8 NNCC1=CC=CN=C1 78930 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.8 NNCC1=CC=NC=C1 37009 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.8 NNCC1=CC=NC=C1 BL009189 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.8 NNCC1=NC=CC=C1 78929 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.8 OCCC1=CN=CN=C1 27368 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [0,2,0,0,0,0|0,0,0]=2 424 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.15 C#CC1=C(Cl)C=NC=C1 79083 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.15 C#CC1=C(F)C=CC=N1 F21381 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.15 C#CC1=C(N)C=CN=C1 C71943 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.15 C#CC1=CC=CN=C1F C77200 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.15 C#CC1=CC=CN=C1O CS1686 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.15 C=CC1=CC=CN=C1Br 83953 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [0,2,0,0,0,0|1,0,1]=4 436 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.15 CC1=C(NN)C=CN=C1 F15970 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.15 CC1=CC=CN=C1CN C72913 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.15 CC1=NC=CC=C1CN 72802 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.15 CC1=NC=CN=C1CO P10784 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.15 CCC1=CC=CN=C1N 55791 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.15 CNC1=CC=CN=C1N 94808 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.15 CNC1=NC=CC=C1N 72351 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.15 COC1=C(Br)C=CN=C1 26564 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.15 COC1=C(I)C=CN=C1 D82954 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.15 COC1=C(I)C=NC=N1 C74109 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.15 COC1=C(N)C=CN=C1 35474 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.15 COC1=C(O)C=NC=C1 79066 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.15 COC1=CNC=NC1=O H10327 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.15 COC1=NC=CC=C1C C73664 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.15 COC1=NC=CN=C1Br 27717 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.15 COC1=NC=NC=C1N 24306 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.15 COC1=NC=NC=C1N 36696 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [0,2,0,0,0,0|1,1,0]=4 469 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [0,2,0,0,0,0|1,1,0]=4 470 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.15 ClCC1=C(Br)C=NC=C1 32531 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.15 FC1=C(CCl)C=CN=C1 72889 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.15 N#CC1=C(Br)C=CN=C1 55794 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.15 N#CC1=C(I)C=CC=N1 CL0132 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.15 N#CC1=CNC=CC1=O 88910 [0,2,0,0,0,0|1,0,1]=4 481 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.15 NC1=C(CO)C=NC=C1 28348 [0,2,0,0,0,0|1,0,0]=3 483 B9R1.15 NC1=CC=CN=C1C=O 80155 [0,2,0,0,0,0|1,0,1]=4 484 B9R1.15 NC1=CC=CN=C1CO H10562 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.15 NCC1=C(F)C=NC=C1 26837 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.15 NCC1=C(F)C=NC=C1 78901 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.15 NCC1=CC=CN=C1N 89358 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.15 NCC1=CC=CN=C1O 55767 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.15 NNC1=C(Br)C=NC=C1 C13755 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.15 NNC1=C(F)C=CC=N1 F20903 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.15 O=C1NC=CC=C1CO P16012 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [0,2,0,0,0,0|1,0,1]=4 509 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [0,2,0,0,0,0|0,0,1]=3 510 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.15 OCC1=NC=CN=C1Cl 80497 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.69 BrC1=CC(I)=C(Br)C=N1 53803 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.69 CC1=C(Br)C=C(F)C=N1 22786 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.69 CC1=C(Br)C=C(F)N=C1 C14400 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.69 CC1=C(Br)C=C(N)N=C1 72100 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C71138 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=C(Cl)C=C(O)C=N1 94607 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 C16781 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C10556 [0,2,0,0,0,0|1,0,0]=3 526 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C76951 [0,2,0,0,0,0|1,0,0]=3 527 B9R1.69 CC1=C(F)C=C(Cl)C=C1 D77788 [0,2,0,0,0,0|1,0,0]=3 528 B9R1.69 CC1=C(F)C=C(N)C=N1 D70662 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.69 CC1=C(F)C=CC(Br)=C1 AC7936 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.69 CC1=C(I)C=C(N)N=C1 72489 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.69 CC1=C(I)C=CC(F)=N1 22653 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=C(I)C=NC(Br)=C1 I10152 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.69 CC1=C(I)C=NC(F)=C1 22752 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=C(N)C=CC(N)=C1 D87687 [0,2,0,0,0,0|1,0,0]=3 535 B9R1.69 CC1=C(O)C=C(I)C=C1 D76555 [0,2,0,0,0,0|0,0,0]=2 536 B9R1.69 CC1=C(O)C=CC(S)=C1 63544 [0,2,0,0,0,0|0,0,0]=2 537 B9R1.69 CC1=C(O)C=NC(Cl)=N1 P14645 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.69 CC1=CC(=S)N(O)C=C1 D80842 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.69 CC1=CC(Br)=C(Br)C=N1 A51123 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.69 CC1=CC(Br)=C(C)C=N1 N13082 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17115 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17937 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=CC(Br)=C(F)C=N1 C71771 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=CC(Br)=C(O)C=N1 53715 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.69 CC1=CC(Br)=CN=C1I I11229 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.69 CC1=CC(C)=C(Br)C=N1 W18180 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 39191 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.69 CC1=CC(Cl)=C(C)C=N1 O11204 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.69 CC1=CC(Cl)=C(F)C=N1 P20444 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.69 CC1=CC(Cl)=C(F)N=C1 O10975 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.69 CC1=CC(Cl)=C(N)C=N1 F52035 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=CC(Cl)=[N+]([O-])C=C1 AB6864 [0,2,0,0,0,0|1,0,1]=4 554 B9R1.69 CC1=CC(F)=CN=C1N 27788 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.69 CC1=CC(I)=C(Br)C=C1 T71407 [0,2,0,0,0,0|1,0,0]=3 556 B9R1.69 CC1=CC(I)=C(N)N=C1 I10161 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.69 CC1=CC(I)=CN=C1Cl I10138 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.69 CC1=CC(I)=CN=C1F A10643 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.69 CC1=CC(N)=C(Br)C=N1 24320 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.69 CC1=CC(N)=C(Cl)C=N1 AC2062 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.69 CC1=CC(N)=C(F)C=N1 31394 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.69 CC1=CC(N)=C(I)C=N1 C76714 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.69 CC1=CC(O)=CN=C1C W19117 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.69 CC1=CC(O)=CN=C1Cl 25601 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.69 CC1=CC(O)=CN=C1F BL009882 [0,2,0,0,0,0|1,0,0]=3 567 B9R1.69 CC1=CC(O)=CN=C1N 72099 [0,2,0,0,0,0|1,0,0]=3 568 B9R1.69 CC1=CC=C(Cl)NC1=O 78111 [0,2,0,0,0,0|1,0,1]=4 569 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.69 CC1=CC=C(N)N=C1N N13200 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.69 CC1=CC=C(O)C(Cl)=N1 35292 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.69 CC1=CN=C(Br)C=C1Br F11640 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.69 CC1=CN=C(Br)C=C1Cl F11669 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.69 CC1=CN=C(Br)C=C1F D70629 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.69 CC1=CN=C(Br)C=C1N 79079 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.69 CC1=CN=C(C)C=C1N W13730 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [0,2,0,0,0,0|1,0,0]=3 579 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [0,2,0,0,0,0|1,0,0]=3 580 B9R1.69 CC1=CN=C(F)C=C1N D83156 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.69 CC1=CN=C(N)C=C1C F18079 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.69 CC1=CN=C(N)N=C1O F19190 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.69 CC1=C[N+]([O-])=C(Br)C=C1 24827 [0,2,0,0,0,0|1,0,1]=4 586 B9R1.69 CC1=C[N+]([O-])=C(Cl)C=C1 74280 [0,2,0,0,0,0|1,0,1]=4 587 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [0,2,0,0,0,0|1,0,0]=3 590 B9R1.69 CC1=NC(O)=C(Br)C=N1 25539 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.69 CC1=NC(O)=C(Cl)C=N1 I11731 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.69 CC1=NC(O)=C(F)C=N1 25762 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.69 CC1=NC=C(Br)C=C1O 24970 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.69 CC1=NC=C(F)C=C1N D96784 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.69 CC1=[N+]([O-])C=CC(Br)=C1 58524 [0,2,0,0,0,0|1,0,1]=4 597 B9R1.69 CN1C=C(F)C=CC1=O C75398 [0,2,0,0,0,0|1,0,1]=4 598 B9R1.69 CN1C=CC(=O)C(O)=C1 O11011 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.69 CN1C=CC(I)=CC1=O W16774 [0,2,0,0,0,0|1,0,1]=4 600 B9R1.69 CN1C=CC(O)=CC1=O 32621 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.69 ClC1=CC(Br)=C(Br)C=N1 D75402 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.69 ClC1=CC(Br)=C(Cl)C=N1 36009 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.69 ClC1=CC(Br)=NC=C1Br C71140 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.69 ClC1=CC(I)=CN=C1Cl P10789 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.69 ClC1=CN=C(Br)C=C1Cl C71139 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.69 ClC1=CN=C(I)C(Br)=C1 F31146 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.69 ClC1=NC=C(I)C=C1Br I11218 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.69 FC1=C(Br)C=C(Cl)N=C1 22600 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.69 FC1=C(Br)C=CC(I)=N1 80855 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.69 FC1=C(Br)C=NC(Cl)=C1 O11361 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.69 FC1=C(Cl)N=C(Br)C=C1 P18746 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.69 FC1=C(I)C=C(Br)C=N1 A51189 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.69 FC1=C(I)C=C(Cl)C=C1 D76847 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.69 FC1=C(I)C=C(Cl)C=N1 FD10647 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.69 FC1=C(I)C=CC(Cl)=N1 D73177 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.69 FC1=C(I)C=NC(Cl)=C1 W11410 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.69 FC1=CC(Br)=C(F)C=N1 W17979 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.69 FC1=CC(Br)=C(F)N=C1 P11496 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.69 FC1=CC(Br)=CN=C1I 89502 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.69 FC1=CC(Cl)=C(F)C=N1 C76731 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.69 FC1=CC(Cl)=CN=C1I 90322 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.69 FC1=CC(F)=C(I)C=N1 FD10678 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.69 FC1=CC(I)=CN=C1F C76730 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.69 FC1=CC=C(Cl)N=C1I F12266 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.69 FC1=CC=C(F)C(Br)=N1 P17349 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.69 FC1=CC=C(F)C(F)=N1 P15955 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.69 FC1=CN=C(Br)C=C1Br N11824 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.69 FC1=CN=C(Cl)C=C1Cl F30640 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.69 FC1=NC(Cl)=C(Br)C=C1 F30308 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.69 NC1=C(Br)C=C(F)N=C1 D79622 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.69 NC1=C(Br)C=C(O)C=N1 AC2117 [0,2,0,0,0,0|1,0,0]=3 632 B9R1.69 NC1=C(Br)C=CC(Br)=C1 AB9018 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.69 NC1=C(Br)C=CC(Br)=N1 AC1724 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.69 NC1=C(Br)C=CC(F)=N1 33206 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.69 NC1=C(Br)C=NC(Cl)=C1 22670 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.69 NC1=C(Br)C=NC(F)=C1 37637 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.69 NC1=C(F)C=C(S)C=C1 AC4437 [0,2,0,0,0,0|0,1,0]=3 638 B9R1.69 NC1=C(F)C=CC(Br)=N1 S10296 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.69 NC1=C(F)C=CC(F)=N1 C10743 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.69 NC1=C(F)N=C(Br)C=C1 F20849 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.69 NC1=C(F)N=C(I)C=C1 80825 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.69 NC1=C(I)C=C(Cl)N=C1 C15647 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.69 NC1=C(I)C=NC(Br)=C1 W15293 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.69 NC1=C(O)C=CC(Cl)=N1 83945 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.69 NC1=C(O)C=CC(O)=C1 D82359 [0,2,0,0,0,0|0,0,0]=2 646 B9R1.69 NC1=C(S)C=C(Br)C=C1 83378 [0,2,0,0,0,0|0,1,0]=3 647 B9R1.69 NC1=CC(Br)=C(Br)C=N1 27104 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.69 NC1=CC(Br)=C(I)C=N1 36509 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.69 NC1=CC(Br)=NC=C1Br F31109 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.69 NC1=CC(Br)=NC=C1F S10141 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.69 NC1=CC(Br)=NC=C1O AC2756 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.69 NC1=CC(Cl)=NC=C1O C14679 [0,2,0,0,0,0|1,0,0]=3 653 B9R1.69 NC1=CC(F)=C(Cl)C=N1 C72569 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.69 NC1=CC(F)=C(F)C=C1 D77855 [0,2,0,0,0,0|1,0,0]=3 655 B9R1.69 NC1=CC(F)=C(F)C=N1 82058 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.69 NC1=CC(F)=C(I)C=N1 C73286 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.69 NC1=CC(F)=C(N)C=C1 O10786 [0,2,0,0,0,0|1,0,0]=3 658 B9R1.69 NC1=CC(F)=CN=C1Br 22580 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.69 NC1=CC(F)=CN=C1Cl 28131 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.69 NC1=CC(F)=NC=C1F F31110 [0,2,0,0,0,0|2,0,0]=4 661 B9R1.69 NC1=CC(I)=C(Cl)C=N1 56810 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.69 NC1=CC(I)=C(F)C=N1 P15421 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.69 NC1=CC(N)=C(Br)C=C1 34773 [0,2,0,0,0,0|1,0,0]=3 664 B9R1.69 NC1=CC(N)=C(Br)C=N1 26611 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.69 NC1=CC(O)=C(F)C=C1 53863 [0,2,0,0,0,0|0,0,0]=2 666 B9R1.69 NC1=CC(O)=C(N)C=C1 Y10783 [0,2,0,0,0,0|0,0,0]=2 667 B9R1.69 NC1=CC=C(Br)C(I)=N1 76247 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.69 NC1=CC=C(Br)N=C1I C77125 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.69 NC1=CC=C(Cl)N=C1I 75745 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.69 NC1=CC=C(Cl)NC1=S N16923 [0,2,0,0,0,0|1,1,0]=4 671 B9R1.69 NC1=CC=C(F)C(Br)=N1 84492 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.69 NC1=CC=C(F)N=C1F F30297 [0,2,0,0,0,0|2,0,0]=4 673 B9R1.69 NC1=CC=C(N)C(Br)=N1 D70612 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.69 NC1=CN=C(Br)C(Br)=C1 25893 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.69 NC1=CN=C(Br)C=C1N CS1476 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.69 NC1=CN=C(Cl)C(F)=C1 W12189 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.69 NC1=CN=C(Cl)C(N)=C1 C75644 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.69 NC1=CN=C(Cl)C=C1F P12282 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.69 NC1=CN=C(Cl)C=C1O O11344 [0,2,0,0,0,0|1,0,0]=3 680 B9R1.69 NC1=CN=C(F)C(F)=C1 W12191 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.69 NC1=CN=C(F)C=C1F D82706 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.69 NC1=CN=C(F)C=C1N CS1368 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.69 NC1=CN=C(N)C=C1N H10391 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.69 NC1=NC(Cl)=C(I)C=C1 W17873 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.69 NC1=NC(F)=C(Cl)C=C1 Y14647 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.69 NC1=NC(N)=C(I)C=C1 71808 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.69 NC1=NC(N)=C(O)C=N1 C72621 [0,2,0,0,0,0|2,0,0]=4 688 B9R1.69 NC1=NC(O)=C(Br)C=N1 25083 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.69 NC1=NC(O)=C(F)C=N1 W11740 [0,2,0,0,0,0|2,0,0]=4 690 B9R1.69 NC1=NC=C(F)C=C1O F12177 [0,2,0,0,0,0|1,0,0]=3 691 B9R1.69 O=C1C=C(Br)C(F)=CN1 A11415 [0,2,0,0,0,0|1,0,1]=4 692 B9R1.69 O=C1C=CC(=O)C(Br)=C1 T70875 [0,2,0,0,0,0|0,0,1]=3 693 B9R1.69 O=C1NC(Cl)=CC=C1Br AT20001 [0,2,0,0,0,0|1,0,1]=4 694 B9R1.69 O=C1NC=C(I)C=C1Cl E70312 [0,2,0,0,0,0|1,0,1]=4 695 B9R1.69 O=C1NC=C(O)C(=O)N1 A12566 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.69 OC1=C(Cl)N=C(Cl)N=C1 P18567 [0,2,0,0,0,0|2,0,0]=4 697 B9R1.69 OC1=C(F)C=C(F)C=N1 W17865 [0,2,0,0,0,0|1,0,0]=3 698 B9R1.69 OC1=C(F)C=CC(I)=C1 26402 [0,2,0,0,0,0|0,0,0]=2 699 B9R1.69 OC1=C(F)N=C(Br)C=C1 96388 [0,2,0,0,0,0|1,0,0]=3 700 B9R1.69 OC1=C(I)C=C(Cl)N=C1 W12390 [0,2,0,0,0,0|1,0,0]=3 701 B9R1.69 OC1=CC(Br)=C(F)N=C1 O11382 [0,2,0,0,0,0|1,0,0]=3 702 B9R1.69 OC1=CC(Br)=C(I)C=C1 A11846 [0,2,0,0,0,0|0,0,0]=2 703 B9R1.69 OC1=CC(Br)=CN=C1Br C76772 [0,2,0,0,0,0|1,0,0]=3 704 B9R1.69 OC1=CC(Cl)=C(Cl)C=N1 29162 [0,2,0,0,0,0|1,0,0]=3 705 B9R1.69 OC1=CC(Cl)=C(F)N=C1 RB1108 [0,2,0,0,0,0|1,0,0]=3 706 B9R1.69 OC1=CC(Cl)=CN=C1F RB1101 [0,2,0,0,0,0|1,0,0]=3 707 B9R1.69 OC1=CC(Cl)=NN=C1Cl 36564 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.69 OC1=CC(F)=C(I)C=C1 36664 [0,2,0,0,0,0|0,0,0]=2 709 B9R1.69 OC1=CC(F)=CN=C1Br 79185 [0,2,0,0,0,0|1,0,0]=3 710 B9R1.69 OC1=CC(F)=CN=C1Cl Y10122 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.69 OC1=CC(I)=C(Cl)C=N1 W17867 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.69 OC1=CC(I)=C(F)C=N1 W16947 [0,2,0,0,0,0|1,0,0]=3 713 B9R1.69 OC1=CC=C(Cl)C(Cl)=N1 S10252 [0,2,0,0,0,0|1,0,0]=3 714 B9R1.69 OC1=CC=C(Cl)N=C1Cl 81828 [0,2,0,0,0,0|1,0,0]=3 715 B9R1.69 OC1=CN=C(Br)C(Cl)=C1 68808 [0,2,0,0,0,0|1,0,0]=3 716 B9R1.69 OC1=CN=C(Br)C(Cl)=N1 P18868 [0,2,0,0,0,0|2,0,0]=4 717 B9R1.69 OC1=CN=C(F)C=C1F 70871 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.69 OC1=NC(F)=C(Br)C=C1 C14402 [0,2,0,0,0,0|1,0,0]=3 719 B9R1.69 OC1=NC(F)=C(I)C=C1 F11075 [0,2,0,0,0,0|1,0,0]=3 720 B9R1.69 [O-][N+]1=C(Br)C=CC(F)=C1 53655 [0,2,0,0,0,0|1,0,1]=4 721 B9R1.69 [O-][N+]1=C(Cl)C=CC(Br)=C1 80252 [0,2,0,0,0,0|1,0,1]=4 722 B9R1.3 BrC1=CN=CC(Br)=C1Br I10241 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.3 CC1=C(Br)C=CN=C1Cl 27325 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.3 CC1=C(Br)C=CN=C1N S10229 [0,2,0,0,0,0|2,0,0]=4 725 B9R1.3 CC1=C(Br)C=NC=C1Cl C72047 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.3 CC1=C(Br)C=NC=C1O AC5971 [0,2,0,0,0,0|1,0,0]=3 727 B9R1.3 CC1=C(C)C(Br)=NC=C1 N10835 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.3 CC1=C(C)C(N)=NC=C1 Y10702 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 C76922 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.3 CC1=C(Cl)C=CN=C1Br P17567 [0,2,0,0,0,0|2,0,0]=4 731 B9R1.3 CC1=C(Cl)C=CN=C1N C71886 [0,2,0,0,0,0|2,0,0]=4 732 B9R1.3 CC1=C(F)C=CN=C1N D70937 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.3 CC1=C(I)C=CNC1=O W18300 [0,2,0,0,0,0|1,0,1]=4 734 B9R1.3 CC1=C(O)C(Br)=NC=C1 C71875 [0,2,0,0,0,0|1,0,0]=3 735 B9R1.3 CC1=C(O)C(Cl)=NC=C1 36409 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.3 CC1=C(O)C=CNC1=O D94824 [0,2,0,0,0,0|1,0,0]=3 737 B9R1.3 CC1=CC=CC(I)=C1Br CL9287 [0,2,0,0,0,0|1,0,0]=3 738 B9R1.3 CC1=CC=CC(I)=C1Cl D82348 [0,2,0,0,0,0|1,0,0]=3 739 B9R1.3 CC1=CC=CC(I)=C1F 55203 [0,2,0,0,0,0|1,0,0]=3 740 B9R1.3 CC1=CC=NC(C)=C1Br C10200 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.3 CC1=CC=NC(N)=C1F 22700 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.3 CC1=CN=CC(C)=C1Br 52045 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.3 CC1=CN=CC(C)=C1Cl AB6822 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.3 CC1=CN=CC(C)=C1I 52056 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.3 CC1=CN=CC(Cl)=C1N 27804 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.3 CC1=CN=CC(F)=C1N 93260 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.3 CC1=CN=CC(I)=C1N F12221 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.3 CC1=CN=CC(N)=C1N 26396 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.3 CC1=NC=CC(Br)=C1Cl AC1900 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.3 CC1=NC=CC(Br)=C1F O11181 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.3 CC1=NC=CC(Br)=C1F S12180 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.3 CC1=NC=CC(Br)=C1N F15057 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.3 CC1=NC=CC(Cl)=C1F C71651 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.3 CC1=NC=CC(N)=C1N 26933 [0,2,0,0,0,0|2,0,0]=4 755 B9R1.3 CC1=NC=CC(O)=C1C 89362 [0,2,0,0,0,0|1,0,0]=3 756 B9R1.3 CC1=NC=NC(C)=C1O F21170 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.3 CC1=NC=NC(O)=C1Br 85510 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.3 CN1C(=O)C=CC=C1Br C76858 [0,2,0,0,0,0|1,0,1]=4 759 B9R1.3 CN1C=CC=C(Br)C1=O P11117 [0,2,0,0,0,0|1,0,1]=4 760 B9R1.3 CN1C=CC=C(N)C1=O CS1614 [0,2,0,0,0,0|1,0,1]=4 761 B9R1.3 ClC1=CC=CC(I)=C1Br C72487 [0,2,0,0,0,0|1,0,0]=3 762 B9R1.3 ClC1=CN=CC(Br)=C1Cl 36177 [0,2,0,0,0,0|2,0,0]=4 763 B9R1.3 ClC1=NC=CC(Br)=C1Cl D78037 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.3 ClC1=NC=CC(Cl)=C1Cl H10141 [0,2,0,0,0,0|2,0,0]=4 765 B9R1.3 FC1=C(Br)C(Cl)=CC=N1 C71754 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.3 FC1=C(Br)C=CN=C1Cl C10735 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.3 FC1=C(Cl)C(Cl)=CC=N1 D84160 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.3 FC1=CC=CC(F)=C1S N10599 [0,2,0,0,0,0|0,1,0]=3 769 B9R1.3 FC1=CC=CC(I)=C1Cl D96251 [0,2,0,0,0,0|1,0,0]=3 770 B9R1.3 FC1=CC=NC(Cl)=C1I W11409 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.3 FC1=CC=NC(F)=C1Br C71871 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.3 FC1=CC=NC(F)=C1Cl C76729 [0,2,0,0,0,0|2,0,0]=4 773 B9R1.3 FC1=CN=CC(Br)=C1Cl C71760 [0,2,0,0,0,0|2,0,0]=4 774 B9R1.3 FC1=CN=CC(Br)=C1Cl W12868 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.3 FC1=CN=CC(Cl)=C1Br O11178 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.3 FC1=CN=CC(Cl)=C1F W19022 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.3 FC1=CN=CC(F)=C1Cl P17352 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.3 FC1=CN=CC(F)=C1I 30927 [0,2,0,0,0,0|2,0,0]=4 779 B9R1.3 FC1=NC=CC(Br)=C1F C71887 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.3 FC1=NC=CC(Cl)=C1F I11282 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.3 NC1=C(Br)C(F)=CC=N1 O10962 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.3 NC1=C(Br)C=CN=C1Br D83808 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.3 NC1=C(Br)C=CN=C1Cl I11225 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.3 NC1=C(Br)C=NC=C1F 26952 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.3 NC1=C(Cl)C(=O)NC=C1 D97574 [0,2,0,0,0,0|1,0,1]=4 786 B9R1.3 NC1=C(Cl)C(Br)=NC=C1 C75850 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.3 NC1=C(Cl)C(Cl)=CC=N1 39109 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.3 NC1=C(Cl)C(S)=CC=N1 D96782 [0,2,0,0,0,0|1,1,0]=4 789 B9R1.3 NC1=C(Cl)C=CC=C1O 83940 [0,2,0,0,0,0|0,0,0]=2 790 B9R1.3 NC1=C(Cl)C=CN=C1Br N13061 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.3 NC1=C(Cl)C=CN=C1O 84125 [0,2,0,0,0,0|1,0,0]=3 792 B9R1.3 NC1=C(F)C(Br)=NC=C1 91517 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.3 NC1=C(I)C=CC=C1F C10209 [0,2,0,0,0,0|1,0,0]=3 794 B9R1.3 NC1=C(I)C=CC=C1O 56049 [0,2,0,0,0,0|0,0,0]=2 795 B9R1.3 NC1=C(I)C=NC=C1Cl C72200 [0,2,0,0,0,0|2,0,0]=4 796 B9R1.3 NC1=C(N)C(=O)NC=C1 H10351 [0,2,0,0,0,0|1,0,1]=4 797 B9R1.3 NC1=C(N)C(Br)=NC=C1 24209 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.3 NC1=C(O)C(Cl)=NC=C1 80296 [0,2,0,0,0,0|1,0,0]=3 799 B9R1.3 NC1=C(O)C(Cl)=NC=N1 36067 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.3 NC1=C(O)C=CN=C1Cl 80316 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.3 NC1=C(O)N=CN=C1Cl F13778 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.3 NC1=CC=CC(Br)=C1Cl CL9068 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.3 NC1=CC=CC(Br)=C1I D82519 [0,2,0,0,0,0|1,0,0]=3 804 B9R1.3 NC1=CC=CC(Cl)=C1S AT19652 [0,2,0,0,0,0|0,1,0]=3 805 B9R1.3 NC1=CC=CC(F)=C1I 34364 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.3 NC1=CC=CC(I)=C1O D93643 [0,2,0,0,0,0|0,0,0]=2 807 B9R1.3 NC1=CC=CC(N)=C1O C73483 [0,2,0,0,0,0|0,0,0]=2 808 B9R1.3 NC1=CC=CC(O)=C1Cl A11176 [0,2,0,0,0,0|0,0,0]=2 809 B9R1.3 NC1=CC=CC(O)=C1F D83231 [0,2,0,0,0,0|0,0,0]=2 810 B9R1.3 NC1=CC=CC(O)=C1N Y11294 [0,2,0,0,0,0|0,0,0]=2 811 B9R1.3 NC1=CC=NC(Br)=C1I W11550 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.3 NC1=CN=CC(Br)=C1I F20257 [0,2,0,0,0,0|2,0,0]=4 813 B9R1.3 NC1=CN=CC(Cl)=C1Cl 27571 [0,2,0,0,0,0|2,0,0]=4 814 B9R1.3 NC1=CN=CC(F)=C1I W10159 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.3 NC1=CNC=C(Br)C1=O O10938 [0,2,0,0,0,0|1,0,1]=4 816 B9R1.3 NC1=NC=CC(Br)=C1N P11779 [0,2,0,0,0,0|2,0,0]=4 817 B9R1.3 O=C1C=CNC(Br)=C1Cl D80176 [0,2,0,0,0,0|1,0,1]=4 818 B9R1.3 O=C1N=CNC(O)=C1Cl H10250 [0,2,0,0,0,0|2,0,0]=4 819 B9R1.3 O=C1NC=CC(Cl)=C1Br 91733 [0,2,0,0,0,0|1,0,1]=4 820 B9R1.3 O=C1NC=CC(F)=C1Br 91736 [0,2,0,0,0,0|1,0,1]=4 821 B9R1.3 O=C1NC=CC(O)=C1Cl 24944 [0,2,0,0,0,0|1,0,0]=3 822 B9R1.3 O=C1NC=NC(O)=C1I 25255 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.3 O=C1NN=CC(O)=C1Cl 20221 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.3 OC1=C(Br)C=CN=C1Br W15957 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.3 OC1=C(Br)C=CN=C1Cl 55295 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.3 OC1=C(Cl)C(Cl)=NC=N1 25665 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.3 OC1=C(Cl)C=CN=C1Br W11194 [0,2,0,0,0,0|1,0,0]=3 828 B9R1.3 OC1=C(Cl)C=CN=C1Cl C12296 [0,2,0,0,0,0|1,0,0]=3 829 B9R1.3 OC1=C(Cl)N=CN=C1Cl O11139 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.3 OC1=C(F)C=CN=C1Cl F12183 [0,2,0,0,0,0|1,0,0]=3 831 B9R1.3 OC1=C(I)C=CC=C1Br A10639 [0,2,0,0,0,0|0,0,0]=2 832 B9R1.3 OC1=C(I)C=CC=C1Cl C10110 [0,2,0,0,0,0|0,0,0]=2 833 B9R1.3 OC1=C(I)C=CC=C1I W15211 [0,2,0,0,0,0|0,0,0]=2 834 B9R1.3 OC1=C(I)C=CN=C1Cl F50756 [0,2,0,0,0,0|1,0,0]=3 835 B9R1.3 OC1=C(I)C=CN=C1I 37855 [0,2,0,0,0,0|1,0,0]=3 836 B9R1.3 OC1=C(I)C=NC=C1I W18704 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.3 OC1=CC=CC(Cl)=C1I 34465 [0,2,0,0,0,0|0,0,0]=2 838 B9R1.3 OC1=CC=CC(Cl)=C1O I10220 [0,2,0,0,0,0|0,0,0]=2 839 B9R1.3 OC1=CC=CC(I)=C1Cl O10718 [0,2,0,0,0,0|0,0,0]=2 840 B9R1.34 CC1=CC(=O)C=C(O)O1 O10801 [0,2,0,0,0,0|1,0,0]=3 841 B9R1.34 CC1=CC(Br)=CC(=O)O1 W11181 [0,2,0,0,0,0|1,0,1]=4 842 B9R1.34 CC1=CC(Br)=CC(Br)=N1 C76528 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 I10130 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.34 CC1=CC(Br)=CC(N)=N1 I11227 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.34 CC1=CC(Br)=CC(O)=N1 25599 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.34 CC1=CC(C)=CC(C)=C1 78199 [0,2,0,0,0,0|1,0,0]=3 847 B9R1.34 CC1=CC(Cl)=CC(N)=N1 26589 [0,2,0,0,0,0|2,0,0]=4 848 B9R1.34 CC1=CC(Cl)=NC(N)=C1 25901 [0,2,0,0,0,0|2,0,0]=4 849 B9R1.34 CC1=CC(Cl)=NC(O)=C1 D83290 [0,2,0,0,0,0|1,0,0]=3 850 B9R1.34 CC1=CC(I)=CC(Cl)=C1 56091 [0,2,0,0,0,0|1,0,0]=3 851 B9R1.34 CC1=CC(N)=CC(=O)O1 W11182 [0,2,0,0,0,0|1,0,1]=4 852 B9R1.34 CC1=CC(N)=CC(F)=N1 91514 [0,2,0,0,0,0|2,0,0]=4 853 B9R1.34 CC1=CC(O)=CC(N)=C1 25104 [0,2,0,0,0,0|0,0,0]=2 854 B9R1.34 CC1=NC(Cl)=NC(O)=C1 AC7967 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.34 ClC1=CC(Br)=NC(Br)=C1 36418 [0,2,0,0,0,0|2,0,0]=4 856 B9R1.34 FC1=CC(Br)=CC(F)=N1 W17766 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.34 FC1=CC(Br)=NC(Br)=C1 O10624 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.34 NC1=CC(=O)NC(F)=C1 P17190 [0,2,0,0,0,0|1,0,1]=4 859 B9R1.34 NC1=CC(Br)=CC(Cl)=N1 P11731 [0,2,0,0,0,0|2,0,0]=4 860 B9R1.34 NC1=CC(Br)=CC(N)=N1 56898 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.34 NC1=CC(Cl)=CC(O)=C1 CL9455 [0,2,0,0,0,0|0,0,0]=2 862 B9R1.34 NC1=CC(Cl)=NC(O)=C1 I11313 [0,2,0,0,0,0|1,0,0]=3 863 B9R1.34 NC1=CC(F)=CC(O)=C1 AT15770 [0,2,0,0,0,0|0,0,0]=2 864 B9R1.34 NC1=CC(F)=NC(F)=C1 80786 [0,2,0,0,0,0|2,0,0]=4 865 B9R1.34 NC1=CC(I)=CC(Cl)=C1 C76656 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.34 NC1=CC(N)=CC(N)=C1 80249 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.34 OC1=CC(Br)=NC(Br)=C1 C74116 [0,2,0,0,0,0|1,0,0]=3 868 B9R1.34 OC1=CC(Cl)=CC(Cl)=N1 CL0069 [0,2,0,0,0,0|1,0,0]=3 869 B9R1.34 OC1=CC(F)=NC(F)=C1 56801 [0,2,0,0,0,0|1,0,0]=3 870 B9R1.34 OC1=CC(I)=CC(Cl)=C1 C13366 [0,2,0,0,0,0|0,0,0]=2 871 B9R1.34 OC1=CC(I)=CC(F)=C1 F13580 [0,2,0,0,0,0|0,0,0]=2 872 B9R1.34 OC1=CC(O)=CC(F)=C1 F52031 [0,2,0,0,0,0|0,0,0]=2 873 B9R1.34 OC1=CC(O)=CC(I)=C1 A12718 [0,2,0,0,0,0|0,0,0]=2 874 B9R1.34 SC1=CC(S)=CC(Br)=C1 T70152 [0,2,0,0,0,0|0,1,0]=3 875 B5R1.1 C1=C[Se]C=C1 A12389 [1,0,0,0,1,0|1,0,0]=3